N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]quinoline-2-carboxamide
Formula:C25H16N3OCl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]quinoline-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]quinoline-2-carboxamide |
| MolecularFormula | C25H16N3OCl |
| Smiles | O=C(c1nc2ccccc2cc1)N/N=C\c(c1ccccc11)c(cccc2)c2c1Cl |
| InChI | InChI=1S/C25H16ClN3O/c26-24-19-10-4-2-8-17(19)21(18-9-3-5-11-20(18)24)15-27-29-25(30)23-14-13-16-7-1-6-12-22(16)28-23/h1-15H,(H,29,30) |
| InChIK | ZNTANRMYRGKFEO-UHFFFAOYSA-N |
| TotalMolweight | 409.875 |
| Molweight | 409.875 |
| MonoisotopicMass | 409.098189 |
| CLogP | 6.5664 |
| CLogS | -8.399 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 304.97 |
| Relative PSA | 0.15405 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 4.4715 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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